3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one

C21H21N3O2 — CID 133452908

IUPAC3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nc2ccccc2c(NCc2ccc(N3CCOC3=O)cc2)c1C
InChIInChI=1S/C21H21N3O2/c1-14-15(2)23-19-6-4-3-5-18(19)20(14)22-13-16-7-9-17(10-8-16)24-11-12-26-21(24)25/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyCSVSYCPJQQUUQR-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.42
Rot. Bonds4

About 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 133452908) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID133452908
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nc2ccccc2c(NCc2ccc(N3CCOC3=O)cc2)c1C
InChIInChI=1S/C21H21N3O2/c1-14-15(2)23-19-6-4-3-5-18(19)20(14)22-13-16-7-9-17(10-8-16)24-11-12-26-21(24)25/h3-10H,11-13H2,1-2H3,(H,22,23)
InChIKeyCSVSYCPJQQUUQR-UHFFFAOYSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 84600672
3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 133475744
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 133452088
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
CID 133451845
3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 139544145
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
CID 126769031
2-anilinoethanol;3-phenyl-1,3-oxazolidin-2-one
CID 160590052
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55815215
N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride
CID 70087461

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one (CID 133452908) is 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one is Cc1nc2ccccc2c(NCc2ccc(N3CCOC3=O)cc2)c1C.
What is the InChIKey of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CSVSYCPJQQUUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-15(2)23-19-6-4-3-5-18(19)20(14)22-13-16-7-9-17(10-8-16)24-11-12-26-21(24)25/h3-10H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133452908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).